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| Name |
2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulfophenyl]amino]-,potassium salt (1:2) |
EINECS | 284-337-0 |
| CAS No. | 84852-26-6 | Density | N/A |
| PSA | 235.94000 | LogP | 5.62490 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C23H19N3O9S2 ·2K | Boiling Point | N/A |
| Molecular Weight | 621.72 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulfophenyl]amino]-,dipotassium salt (9CI);Dipotassium 1-amino-9,10-dioxo-4-{[3-(propanoylamino)-4-sulfonatophenyl]amino}-9,10-dihydroanthracene-2-sulfonate; |
2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulfophenyl]amino]-,potassium salt (1:2) Specification
The 2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulfophenyl]amino]-,potassium salt (1:2), with the CAS registry number 84852-26-6, is also known as Dipotassium 1-amino-9,10-dihydro-9,10-dioxo-4-((3-((1-oxopropyl)amino)-4-sulphonatophenyl)amino)anthracene-2-sulphonate. Its EINECS number is 284-337-0. This chemical's molecular formula is C23H19N3O9S2 ·2K and molecular weight is 621.72. What's more, its IUPAC name is dipotassium 1-amino-9,10-dioxo-4-[3-(propanoylamino)-4-sulfonatoanilino]anthracene-2-sulfonate.
Physical properties of 2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulfophenyl]amino]-,potassium salt (1:2) are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 12; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 186.43 Å2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)NC1=C(C=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
(2)InChI: InChI=1S/C23H19N3O9S2.2K/c1-2-18(27)26-14-9-11(7-8-16(14)36(30,31)32)25-15-10-17(37(33,34)35)21(24)20-19(15)22(28)12-5-3-4-6-13(12)23(20)29;;/h3-10,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
(3)InChIKey: KYZKUVKWCDIFNB-UHFFFAOYSA-L
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